2-[4-(1-chloranylisoquinolin-3-yl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[4-(1-chloranylisoquinolin-3-yl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone Openeye Name: 2-[4-(1-chloro-3-isoquinolyl)piperazin-1-yl]-1-(2-methyl-1-piperidyl)ethanone CAS Name: 2-[4-(1-chloro-3-isoquinolinyl)-1-piperazinyl]-1-(2-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[4-(1-chloroisoquinolin-3-yl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone Traditional Name: 2-[4-(1-chloro-3-isoquinolyl)piperazino]-1-(2-methylpiperidino)ethanone Formula: C21H27ClN4O MolecularWeight: 386.91828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CN2CCN(CC2)C3=CC4=CC=CC=C4C(=N3)Cl

Isomeric SMILES

CC1CCCCN1C(=O)CN2CCN(CC2)C3=CC4=CC=CC=C4C(=N3)Cl

InChI

InChI=1S/C21H27ClN4O/c1-16-6-4-5-9-26(16)20(27)15-24-10-12-25(13-11-24)19-14-17-7-2-3-8-18(17)21(22)23-19/h2-3,7-8,14,16H,4-6,9-13,15H2,1H3